2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide

C10H19N3O4S — CID 43638311

IUPAC2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide
SMILESCCC(C)N1C(=O)CC(NCCS(N)(=O)=O)C1=O
InChIInChI=1S/C10H19N3O4S/c1-3-7(2)13-9(14)6-8(10(13)15)12-4-5-18(11,16)17/h7-8,12H,3-6H2,1-2H3,(H2,11,16,17)
InChIKeyRIEWVNDMXMOIDK-UHFFFAOYSA-N
MW277.35 g/mol
LogP-1.21
Rot. Bonds6

About 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide

2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide (PubChem CID 43638311) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide
PubChem CID43638311
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide
SMILESCCC(C)N1C(=O)CC(NCCS(N)(=O)=O)C1=O
InChIInChI=1S/C10H19N3O4S/c1-3-7(2)13-9(14)6-8(10(13)15)12-4-5-18(11,16)17/h7-8,12H,3-6H2,1-2H3,(H2,11,16,17)
InChIKeyRIEWVNDMXMOIDK-UHFFFAOYSA-N
XLogP-1.21
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide (CID 43638311) is 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide is CCC(C)N1C(=O)CC(NCCS(N)(=O)=O)C1=O.
What is the InChIKey of 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
The InChIKey is RIEWVNDMXMOIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-3-7(2)13-9(14)6-8(10(13)15)12-4-5-18(11,16)17/h7-8,12H,3-6H2,1-2H3,(H2,11,16,17).
What are the key properties of 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide has a molecular weight of 277.35 g/mol, XLogP of -1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide is sourced from PubChem (CID 43638311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).